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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:19 UTC
Update Date2025-03-21 18:36:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108678
Frequency24.7
Structure
Chemical FormulaC16H16O5
Molecular Mass288.0998
SMILESCc1c(C(=O)CCc2ccc(O)cc2)cc(O)c(O)c1O
InChI KeyXPYOPDUDOCTPAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent retro-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • cinnamylphenols
  • hydrocarbon derivatives
  • meta cresols
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • para cresols
  • pyrogallols and derivatives
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • retro-dihydrochalcone
  • ketone
  • organic oxide
  • p-cresol
  • o-cresol
  • pyrogallol derivative
  • m-cresol
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone